ENCoM server: exploring protein conformational space and the effect of mutations on protein function and stability

被引:136
作者
Frappier, Vincent [1 ]
Chartier, Matthieu [1 ]
Najmanovich, Rafael J. [1 ]
机构
[1] Univ Sherbrooke, Fac Med & Hlth Sci, Dept Biochem, Sherbrooke, PQ J1H 5N4, Canada
基金
加拿大自然科学与工程研究理事会;
关键词
NORMAL-MODE ANALYSIS; FLUCTUATION DYNAMICS; WEB SERVER; FORCE; POTENTIALS; SIMULATION; SELECTION; NETWORKS; MOTIONS; DESIGN;
D O I
10.1093/nar/gkv343
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
ENCoM is a coarse-grained normal mode analysis method recently introduced that unlike previous such methods is unique in that it accounts for the nature of amino acids. The inclusion of this layer of information was shown to improve conformational space sampling and apply for the first time a coarse-grained normal mode analysis method to predict the effect of single point mutations on protein dynamics and thermostability resulting from vibrational entropy changes. Here we present a web server that allows non-technical users to have access to ENCoM calculations to predict the effect of mutations on thermostability and dynamics as well as to generate geometrically realistic conformational ensembles. The server is accessible at: http://bcb.med.usherbrooke.ca/encom.
引用
收藏
页码:W395 / W400
页数:6
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